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. 2014 Dec 11;6:48. doi: 10.1186/s13321-014-0048-0

Table 4.

Summary of the models used for prediction-driven MMP analysis

Endpoint/Property Training set size Web-link
Aquatic toxicity 1 093 http://ochem.eu/model/3
CYP3A4 inhibition 15 316 http://ochem.eu/model/163